4-(2-cyanopropan-2-yl)benzoic acid

Systemtic Name: 4-(2-cyanopropan-2-yl)benzoic acid Openeye Name: 4-(1-cyano-1-methyl-ethyl)benzoic acid CAS Name: 4-(2-cyanopropan-2-yl)benzoic acid IUPAC Name: 4-(2-cyanopropan-2-yl)benzoic acid Traditional Name: 4-(1-cyano-1-methyl-ethyl)benzoic acid Formula: C11H11NO2 MolecularWeight: 189.21054

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#N)C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CC(C)(C#N)C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C11H11NO2/c1-11(2,7-12)9-5-3-8(4-6-9)10(13)14/h3-6H,1-2H3,(H,13,14)